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445-05-6

445-05-6 | 5-Fluoro-2-methylbenzenesulfonyl chloride

CAS No: 445-05-6 Catalog No: AG003MR4 MDL No:MFCD00052958

Product Description

Catalog Number:
AG003MR4
Chemical Name:
5-Fluoro-2-methylbenzenesulfonyl chloride
CAS Number:
445-05-6
Molecular Formula:
C7H6ClFO2S
Molecular Weight:
208.6377
MDL Number:
MFCD00052958
IUPAC Name:
5-fluoro-2-methylbenzenesulfonyl chloride
InChI:
InChI=1S/C7H6ClFO2S/c1-5-2-3-6(9)4-7(5)12(8,10)11/h2-4H,1H3
InChI Key:
NPEWBMJAUUSBLE-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)S(=O)(=O)Cl)C

Properties

Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.976g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.631g/mol
Monoisotopic Mass:
207.976g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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